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Sugi Predict / Compounds / SCHEMBL5801926

SCHEMBL5801926

SCHEMBL5801926

Cc1ccc(-c2c(CN(C(=O)O)C(C)(C)C)c(CC(C)C)nc(C)c2NC(=O)N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.42
▸ DPP8 Q6V1X1 3/20 0.42
▸ DPP9 Q86TI2 3/20 0.42
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5803224 0.92 DPP4 (0.41) DPP4DPP8DPP9
SCHEMBL5739431 0.85 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL5454913 0.84 DPP4 (0.46) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL5740063 0.84 DPP4 (0.53) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5449121 0.83 DPP4 (0.58) DPP4DPP8DPP9
SCHEMBL5239400 0.78 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5782244 0.78 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5740441 0.78 DPP4 (0.64) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27665018 0.77 DPP4 (0.50) DPP4DPP8DPP9
SCHEMBL5454446 0.77 DPP4 (0.54) DPP4DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 — — EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 — — WO disclosed